Crystallography Open Database

Information card for entry 4330168

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Structure parameters

Formula	C50 H61 O5 P3
Calculated formula	C50 H61 O5 P3
SMILES	P(=O)(C(P(=O)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)CP(=O)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.O.O
Title of publication	Synthesis, Characterization, and Activity of Yttrium(III) Nitrate Complexes Bearing Tripodal Phosphine Oxide and Mixed Phosphine-Phosphine Oxide Ligands
Authors of publication	Peter E. Sues; Alan J. Lough; Robert H. Morris
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9322 - 9332
a	8.5322 ± 0.0008 Å
b	14.5956 ± 0.0013 Å
c	19.4546 ± 0.0017 Å
α	82.379 ± 0.005°
β	79.06 ± 0.005°
γ	75.52 ± 0.004°
Cell volume	2293.9 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1394
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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